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CS-W001157 4
Total: USD 88.00

3,5-Dinitrobenzonitrile

  • CAS No. 4110-35-4

  • Cat. No. CS-W015790
  • Purity≥98%
  • MDL No.MFCD00007228

*For research and further manufacturing use only, not for direct human use.

3,5-Dinitrobenzonitrile|CS-W015790

Structure of 4110-35-4

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General Information

  • CAS No. 4110-35-4
  • Cat. No. CS-W015790
  • Purity ≥98%
  • MDL No. MFCD00007228
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃N₃O₄
  • Molecular Weight 193.12
  • Synonym(s) 5-Cyano-1,3-dinitrobenzene
  • SMILES N#CC1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1

Description

3,5-Dinitrobenzonitrile features a rigid aromatic core bearing two electron-withdrawing nitro groups and a nitrile functionality, creating a highly electrophilic site ideal for nucleophilic substitution. This combination enhances reactivity in conjugate additions and transition-metal-catalyzed coupling reactions. The compound exhibits bench-stable handling characteristics and demonstrates excellent solubility in common organic solvents, facilitating integration into multi-step synthetic sequences.

Application

3,5-Dinitrobenzonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds and functionalized aromatic systems. Its dual nitro groups and nitrile functionality provide high electrophilicity and compatibility with nucleophilic substitution, reductive transformations, and coupling reactions. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for use in medicinal chemistry and process R&D workflows.

Synthesis

  • Route1

    References

    • Mai, Khuong; Patil, Ghanshyam Tetrahedron Letters, 1986 , vol. 27, # 20 p. 2203 - 2206
  • Route2
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    • In-stock
      3,5-Dinitrobenzonitrile|CS-W015790
      4110-35-4
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      153621-98-8

    References

    • Creary, Xavier Journal of Organic Chemistry, 1993 , vol. 58, # 27 p. 7700 - 7708
  • Route3

    References

    • Reddy, M.B.Madhusudana; Pasha Synthetic Communications, 2011 , vol. 41, # 14 p. 2081 - 2085

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   110.07
  • LogP   1.37468
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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